MSMICA: computational metabolite identification in untargeted metabolomics by integrating MS, retention time, and biological evidence
Jiada James Zhan, Jaclyn Weinberg, William J. Crandall, Zhaohui Steve Qin et autres
Abstract Mass Spectrometry Metabolomics Identification Connection Algorithm (MSMICA) is an algorithm for automated metabolite identification in untargeted liquid chromatography-high-resolution mass spectrometry (LC-HRMS) analyses. Limitations in metabolite identification can occur due to the availability and cost of standards and prevent recognition of metabolic …
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